[1,2-bis(diphenylphosphanylmethyl)cyclopropyl]methyl-diphenylphosphane

C42H39P3 — CID 91153135

IUPAC[1,2-bis(diphenylphosphanylmethyl)cyclopropyl]methyl-diphenylphosphane
SMILESc1ccc(P(CC2CC2(CP(c2ccccc2)c2ccccc2)CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H39P3/c1-7-19-36(20-8-1)43(37-21-9-2-10-22-37)32-35-31-42(35,33-44(38-23-11-3-12-24-38)39-25-13-4-14-26-39)34-45(40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-30,35H,31-34H2
InChIKeyCOFNKSMWEZTCKB-UHFFFAOYSA-N
MW636.70 g/mol
LogP8.39
Rot. Bonds12

About [1,2-bis(diphenylphosphanylmethyl)cyclopropyl]methyl-diphenylphosphane

[1,2-bis(diphenylphosphanylmethyl)cyclopropyl]methyl-diphenylphosphane (PubChem CID 91153135) has the molecular formula C42H39P3 and a molecular weight of 636.70 g/mol. Its IUPAC name is [1,2-bis(diphenylphosphanylmethyl)cyclopropyl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[1,2-bis(diphenylphosphanylmethyl)cyclopropyl]methyl-diphenylphosphane
PubChem CID91153135
Molecular FormulaC42H39P3
Molecular Weight636.70 g/mol
Exact Mass636.23
IUPAC Name[1,2-bis(diphenylphosphanylmethyl)cyclopropyl]methyl-diphenylphosphane
SMILESc1ccc(P(CC2CC2(CP(c2ccccc2)c2ccccc2)CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H39P3/c1-7-19-36(20-8-1)43(37-21-9-2-10-22-37)32-35-31-42(35,33-44(38-23-11-3-12-24-38)39-25-13-4-14-26-39)34-45(40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-30,35H,31-34H2
InChIKeyCOFNKSMWEZTCKB-UHFFFAOYSA-N
XLogP8.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.70
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2R,3R,5S)-5-(diphenylphosphanylmethyl)spiro[2.2]pentan-2-yl]-diphenylphosphane
CID 57379171
[(2R,3S,4R,5R)-5-bromodispiro[2.0.24.13]heptan-2-yl]methyl-diphenylphosphane
CID 57379174
CID 57379173
CID 57379173
CID 57379175
CID 57379175
diphenyl-[[(1S,2S,3R)-2,3,4-tris(diphenylphosphanylmethyl)cyclopentyl]methyl]phosphane
CID 134865357
[(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane
CID 13296398
[(2R,3R)-3-(diphenylphosphanylmethyl)-1,4-dioxaspiro[4.6]undecan-2-yl]methyl-diphenylphosphane
CID 170897994
(5S)-5-(diphenylphosphanylmethyl)-1,3,3-trimethylpyrrolidin-2-one
CID 102002966
[3-(diphenylphosphanylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl-diphenylphosphane
CID 57017880
1,2-bis(diphenylphosphanylmethyl)-3,3-dimethylcyclopropane-1,2-diol
CID 18172358
[(4S,5S)-5-(diphenylphosphanylmethyl)-2,2,4,5-tetramethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
CID 58555952
diphenylphosphanylmethyl(diphenyl)phosphane;ruthenium
CID 87761562

Frequently Asked Questions

What is the IUPAC name of [1,2-bis(diphenylphosphanylmethyl)cyclopropyl]methyl-diphenylphosphane?
The IUPAC name of [1,2-bis(diphenylphosphanylmethyl)cyclopropyl]methyl-diphenylphosphane (CID 91153135) is [1,2-bis(diphenylphosphanylmethyl)cyclopropyl]methyl-diphenylphosphane.
What is the SMILES notation for [1,2-bis(diphenylphosphanylmethyl)cyclopropyl]methyl-diphenylphosphane?
The canonical SMILES for [1,2-bis(diphenylphosphanylmethyl)cyclopropyl]methyl-diphenylphosphane is c1ccc(P(CC2CC2(CP(c2ccccc2)c2ccccc2)CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [1,2-bis(diphenylphosphanylmethyl)cyclopropyl]methyl-diphenylphosphane?
The InChIKey is COFNKSMWEZTCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H39P3/c1-7-19-36(20-8-1)43(37-21-9-2-10-22-37)32-35-31-42(35,33-44(38-23-11-3-12-24-38)39-25-13-4-14-26-39)34-45(40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-30,35H,31-34H2.
What are the key properties of [1,2-bis(diphenylphosphanylmethyl)cyclopropyl]methyl-diphenylphosphane?
[1,2-bis(diphenylphosphanylmethyl)cyclopropyl]methyl-diphenylphosphane has a molecular weight of 636.70 g/mol, XLogP of 8.39, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-bis(diphenylphosphanylmethyl)cyclopropyl]methyl-diphenylphosphane is sourced from PubChem (CID 91153135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).